#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s ASP 2 N 0.00 5.57 -0.05 3.42 -1.08 -1.26 -4.93 116.67 118.34 3g4s s ASP 2 Ca 0.00 -0.57 0.12 0.00 -0.52 0.00 0.00 52.55 51.58 3g4s s ASP 2 Cb 0.00 -2.00 0.35 0.00 -1.46 0.00 0.00 42.92 39.81 3g4s s ASP 2 CO 0.00 -0.21 1.29 0.18 0.52 0.00 0.00 175.17 176.95 3g4s n LEU 3 N 4.98 3.14 0.28 -1.34 4.77 -1.26 -4.65 117.00 122.92 3g4s n LEU 3 Ca -0.14 -2.28 0.14 0.00 -0.03 0.00 0.00 56.01 53.71 3g4s n LEU 3 Cb 0.49 -0.31 0.80 0.00 -2.33 0.00 0.00 43.42 42.07 3g4s n LEU 3 CO 0.34 0.71 1.02 0.77 -1.33 0.00 0.00 177.39 178.89 3g4s h SER 4 N 1.88 0.00 -0.03 -1.43 4.64 -1.99 -1.13 113.55 115.49 3g4s h SER 4 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3g4s h SER 4 Cb 0.91 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3g4s h SER 4 CO 0.06 0.08 -0.70 0.00 -0.87 0.00 0.00 176.83 175.40 3g4s h ALA 5 N 1.92 0.12 -0.09 5.18 0.00 -2.00 -2.91 119.26 121.48 3g4s h ALA 5 Ca -0.00 -0.59 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3g4s h ALA 5 Cb 0.28 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3g4s h ALA 5 CO 0.01 0.45 -0.25 1.96 0.00 0.00 0.00 179.25 181.43 3g4s h GLN 6 N 0.09 0.16 0.00 0.00 7.50 -1.75 -1.12 115.11 119.99 3g4s h GLN 6 Ca -0.08 -0.05 -0.06 0.00 0.50 0.00 0.00 58.65 58.96 3g4s h GLN 6 Cb 1.38 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 28.89 3g4s h GLN 6 CO 0.14 0.40 -0.30 0.87 -1.50 0.00 0.00 178.83 178.44 3g4s h LYS 7 N 0.15 0.00 0.18 1.46 1.57 -1.18 0.43 116.57 119.17 3g4s h LYS 7 Ca 0.02 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.50 3g4s h LYS 7 Cb 0.52 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.85 3g4s h LYS 7 CO 0.04 0.30 -1.33 -0.09 -0.57 0.00 0.00 179.45 177.80 3g4s h ARG 8 N 0.00 0.42 0.00 3.15 2.43 -1.05 -3.06 114.38 116.28 3g4s h ARG 8 Ca -0.00 -0.69 -0.17 0.00 -0.81 0.00 0.00 59.98 58.30 3g4s h ARG 8 Cb 0.67 0.25 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 3g4s h ARG 8 CO 0.04 1.32 -0.81 -0.07 -1.51 0.00 0.00 179.97 178.94 3g4s h LEU 9 N 0.13 0.06 -0.59 3.80 3.38 -0.74 -3.20 115.31 118.15 3g4s h LEU 9 Ca -0.19 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 57.58 3g4s h LEU 9 Cb 2.04 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.76 3g4s h LEU 9 CO 0.24 0.85 -0.57 0.00 0.09 0.00 0.00 178.44 179.04 3g4s h ALA 10 N 1.15 0.77 0.00 1.53 0.00 -0.24 -2.31 119.26 120.16 3g4s h ALA 10 Ca -0.02 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3g4s h ALA 10 Cb 1.43 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3g4s h ALA 10 CO 0.11 0.70 0.00 0.00 0.00 0.00 0.00 179.25 180.06 3g4s n ALA 11 N -2.50 2.30 -0.10 0.00 0.00 -1.16 -1.98 120.51 117.07 3g4s n ALA 11 Ca -0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 53.44 53.16 3g4s n ALA 11 Cb 0.61 -1.44 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 3g4s n ALA 11 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3g4s n ASP 12 N -1.38 2.05 0.10 0.00 4.64 -1.15 -2.47 116.55 118.33 3g4s n ASP 12 Ca 0.10 -0.09 -0.04 0.00 -1.38 0.00 0.00 54.79 53.38 3g4s n ASP 12 Cb 0.26 -0.09 0.15 0.00 -1.04 0.00 0.00 41.12 40.40 3g4s n ASP 12 CO 0.00 0.00 0.00 1.62 -0.82 0.00 0.00 177.20 178.00 3g4s h VAL 13 N 0.00 1.38 -0.01 5.18 3.04 -1.42 -2.71 116.25 121.70 3g4s h VAL 13 Ca -0.47 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.29 3g4s h VAL 13 Cb 1.80 1.98 0.00 0.00 -2.01 0.00 0.00 31.29 33.06 3g4s h VAL 13 CO -0.05 0.57 -0.29 0.18 -1.01 0.00 0.00 177.57 176.96 3g4s n LEU 14 N -3.89 1.63 -3.92 3.16 4.77 -0.84 -4.98 117.00 112.94 3g4s n LEU 14 Ca -0.02 -0.54 -0.36 0.00 -0.03 0.00 0.00 56.01 55.06 3g4s n LEU 14 Cb 0.59 -0.05 0.01 0.00 -2.33 0.00 0.00 43.42 41.64 3g4s n LEU 14 CO 0.43 0.30 -0.18 -0.67 -1.33 0.00 0.00 177.39 175.94 3g4s n ASP 15 N -0.15 -4.58 -3.82 -1.43 -0.08 -1.03 -4.99 116.55 100.46 3g4s n ASP 15 Ca 0.12 -1.12 -0.09 0.00 -1.51 0.00 0.00 54.79 52.18 3g4s n ASP 15 Cb 0.42 -1.83 -0.06 0.00 2.34 0.00 0.00 41.12 41.98 3g4s n ASP 15 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3g4s s VAL 16 N -3.29 0.09 0.66 5.18 0.11 -1.03 -5.03 120.40 117.10 3g4s s VAL 16 Ca 0.28 -1.06 -0.17 0.00 -2.93 0.00 0.00 61.98 58.09 3g4s s VAL 16 Cb -0.15 -1.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.22 3g4s s VAL 16 CO 0.93 -0.43 0.99 0.61 -3.33 0.00 0.00 175.10 173.87 3g4s n GLY 17 N -0.17 -0.29 0.23 6.54 0.00 -1.26 -4.55 105.19 105.69 3g4s n GLY 17 Ca -0.13 -0.22 0.08 0.00 0.00 0.00 0.00 46.02 45.75 3g4s n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s h LYS 18 N 0.17 0.00 -0.00 1.61 1.57 -1.89 -2.40 116.57 115.63 3g4s h LYS 18 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3g4s h LYS 18 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 3g4s h LYS 18 CO 0.49 0.21 -0.12 0.09 -0.57 0.00 0.00 179.45 179.56 3g4s n ASN 19 N -3.95 0.32 0.01 0.86 3.02 -1.26 -3.84 115.26 110.43 3g4s n ASN 19 Ca -0.02 -0.30 0.11 0.00 -0.03 0.00 0.00 54.58 54.34 3g4s n ASN 19 Cb 0.29 -0.14 -0.08 0.00 -0.61 0.00 0.00 39.78 39.24 3g4s n ASN 19 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g4s n ARG 20 N -1.15 0.33 -2.38 3.52 1.74 -0.90 -4.97 116.66 112.85 3g4s n ARG 20 Ca 0.12 -0.06 -0.41 0.00 -0.77 0.00 0.00 57.85 56.74 3g4s n ARG 20 Cb 0.29 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 30.14 3g4s n ARG 20 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3g4s s VAL 21 N -3.24 3.40 -0.12 1.55 -7.23 -1.24 -1.43 120.40 112.09 3g4s s VAL 21 Ca 0.01 1.30 0.01 0.00 -1.81 0.00 0.00 61.98 61.50 3g4s s VAL 21 Cb 0.15 -3.83 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 3g4s s VAL 21 CO 0.85 0.27 -0.17 0.86 -0.31 0.00 0.00 175.10 176.60 3g4s s TRP 22 N -0.67 2.73 -0.07 2.82 -0.00 -0.18 -4.93 118.94 118.65 3g4s s TRP 22 Ca 0.49 -0.79 0.02 0.00 -0.00 0.00 0.00 56.10 55.82 3g4s s TRP 22 Cb -0.33 -1.80 -0.03 0.00 -0.00 0.00 0.00 33.47 31.31 3g4s s TRP 22 CO 0.41 -0.29 -0.12 -0.06 -0.00 0.00 0.00 176.95 176.89 3g4s s PHE 23 N 0.37 2.79 -0.23 5.86 0.40 -1.26 -2.34 117.98 123.58 3g4s s PHE 23 Ca -0.13 -0.16 -0.29 0.00 -0.60 0.00 0.00 56.93 55.75 3g4s s PHE 23 Cb -0.17 -1.68 -0.01 0.00 0.51 0.00 0.00 43.02 41.67 3g4s s PHE 23 CO 0.06 0.18 1.42 1.21 0.70 0.00 0.00 175.22 178.80 3g4s s ASN 24 N -0.61 6.64 0.48 1.36 3.84 -0.91 -4.90 114.94 120.84 3g4s s ASN 24 Ca 0.09 1.52 0.26 0.00 0.21 0.00 0.00 52.86 54.94 3g4s s ASN 24 Cb -0.11 -2.54 1.43 0.00 -0.55 0.00 0.00 41.25 39.48 3g4s s ASN 24 CO 0.01 -1.05 1.78 -0.65 -2.79 0.00 0.00 177.10 174.40 3g4s h PRO 25 N 9.52 0.00 0.00 0.43 0.11 -1.98 0.21 132.00 140.29 3g4s h PRO 25 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3g4s h PRO 25 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g4s h PRO 25 CO 1.00 0.00 -1.38 0.39 -0.21 0.00 0.00 178.00 177.81 3g4s n GLU 26 N -2.53 0.56 -0.74 1.05 1.02 -1.26 -4.31 120.64 114.43 3g4s n GLU 26 Ca -0.02 -0.02 0.07 0.00 -0.02 0.00 0.00 57.16 57.17 3g4s n GLU 26 Cb 0.19 -1.67 0.35 0.00 -0.02 0.00 0.00 31.44 30.30 3g4s n GLU 26 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g4s n ARG 27 N -2.38 4.16 -0.26 3.49 1.74 0.06 -4.75 116.66 118.72 3g4s n ARG 27 Ca -0.01 -3.06 0.06 0.00 -0.77 0.00 0.00 57.85 54.07 3g4s n ARG 27 Cb 0.53 -2.12 0.20 0.00 -1.02 0.00 0.00 32.46 30.06 3g4s n ARG 27 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 3g4s h GLN 28 N 3.16 0.42 0.00 5.56 4.20 -1.74 -1.30 115.11 125.41 3g4s h GLN 28 Ca 0.01 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.63 3g4s h GLN 28 Cb 1.81 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 29.48 3g4s h GLN 28 CO 0.41 0.28 -0.30 0.78 -0.67 0.00 0.00 178.83 179.32 3g4s h GLY 29 N 0.43 0.00 1.52 3.46 0.00 -1.94 0.81 103.07 107.34 3g4s h GLY 29 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.76 3g4s h GLY 29 CO -0.42 0.00 -0.40 -0.55 0.00 0.00 0.00 176.54 175.17 3g4s h ASP 30 N 0.00 0.00 0.76 0.19 3.32 -1.64 -3.03 116.42 116.01 3g4s h ASP 30 Ca -0.00 -0.09 -0.10 0.00 0.02 0.00 0.00 57.03 56.86 3g4s h ASP 30 Cb 0.53 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3g4s h ASP 30 CO 0.04 0.04 -1.31 -0.38 -1.72 0.00 0.00 179.24 175.91 3g4s n ILE 31 N -2.39 0.90 0.11 0.35 5.41 -0.70 -3.93 119.36 119.11 3g4s n ILE 31 Ca 0.04 -0.63 -0.02 0.00 1.00 0.00 0.00 62.75 63.13 3g4s n ILE 31 Cb 0.47 -0.53 0.18 0.00 -0.71 0.00 0.00 39.64 39.05 3g4s n ILE 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g4s h ALA 32 N 1.67 1.00 -0.00 -1.39 0.00 -0.75 -2.49 119.26 117.30 3g4s h ALA 32 Ca -0.10 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3g4s h ALA 32 Cb 1.34 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3g4s h ALA 32 CO 0.02 0.68 -0.03 -0.25 0.00 0.00 0.00 179.25 179.68 3g4s n ASP 33 N -3.91 0.51 -4.56 0.00 8.00 -1.16 -4.69 116.55 110.75 3g4s n ASP 33 Ca -0.02 -1.00 -0.40 0.00 0.71 0.00 0.00 54.79 54.09 3g4s n ASP 33 Cb 0.56 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3g4s n ASP 33 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3g4s s ALA 34 N -2.13 2.63 -0.13 2.24 0.00 -0.94 -4.82 121.76 118.61 3g4s s ALA 34 Ca 0.40 -1.79 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 3g4s s ALA 34 Cb 0.21 -4.41 -0.03 0.00 0.00 0.00 0.00 23.12 18.89 3g4s s ALA 34 CO 0.39 -3.58 -0.12 0.82 0.00 0.00 0.00 175.76 173.27 3g4s h ILE 35 N 6.53 0.02 -4.03 0.00 1.08 -1.87 -3.46 117.51 115.78 3g4s h ILE 35 Ca -0.02 -1.03 -0.46 0.00 -0.39 0.00 0.00 64.86 62.96 3g4s h ILE 35 Cb 1.03 0.06 0.08 0.00 -3.07 0.00 0.00 36.82 34.92 3g4s h ILE 35 CO 1.35 0.01 0.29 0.42 -0.69 0.00 0.00 178.15 179.52 3g4s s THR 36 N -2.07 2.45 0.30 -0.27 -4.23 -1.26 -4.98 115.64 105.58 3g4s s THR 36 Ca -0.11 -0.11 0.04 0.00 -1.18 0.00 0.00 61.69 60.33 3g4s s THR 36 Cb 0.02 -3.09 0.09 0.00 1.34 0.00 0.00 72.50 70.86 3g4s s THR 36 CO 0.17 -0.10 1.77 0.03 -0.54 0.00 0.00 174.62 175.95 3g4s h ARG 37 N -0.68 0.46 0.00 3.99 3.08 -1.98 -2.29 114.38 116.96 3g4s h ARG 37 Ca -0.45 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.34 3g4s h ARG 37 Cb 1.31 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.30 3g4s h ARG 37 CO 0.62 0.63 -0.55 1.49 -1.07 0.00 0.00 179.97 181.10 3g4s h GLU 38 N 0.42 0.00 -0.21 0.04 4.57 -1.99 -1.17 114.58 116.24 3g4s h GLU 38 Ca 0.07 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.16 3g4s h GLU 38 Cb 0.57 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.15 3g4s h GLU 38 CO 0.04 0.55 -0.28 -0.44 -1.18 0.00 0.00 179.01 177.70 3g4s h ASP 39 N 0.00 0.41 0.22 1.04 3.32 -1.80 -1.54 116.42 118.06 3g4s h ASP 39 Ca -0.01 -0.14 -0.23 0.00 0.02 0.00 0.00 57.03 56.67 3g4s h ASP 39 Cb 0.98 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 40.43 3g4s h ASP 39 CO 0.07 0.68 -0.94 0.58 -1.72 0.00 0.00 179.24 177.92 3g4s h VAL 40 N 0.36 1.36 -0.73 -1.35 2.07 -1.12 -2.85 116.25 113.99 3g4s h VAL 40 Ca 0.05 -2.34 -0.06 0.00 0.82 0.00 0.00 66.70 65.17 3g4s h VAL 40 Cb 0.68 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.77 3g4s h VAL 40 CO 0.05 0.71 0.23 0.03 0.02 0.00 0.00 177.57 178.61 3g4s h ARG 41 N 0.29 1.13 -0.46 1.57 3.08 -0.76 -2.44 114.38 116.80 3g4s h ARG 41 Ca -0.08 -0.24 -0.12 0.00 0.07 0.00 0.00 59.98 59.60 3g4s h ARG 41 Cb 1.57 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.44 3g4s h ARG 41 CO 0.17 0.96 -0.20 1.49 -1.07 0.00 0.00 179.97 181.32 3g4s h GLU 42 N 1.09 0.95 0.00 0.04 4.81 -1.33 -2.76 114.58 117.38 3g4s h GLU 42 Ca 0.24 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 3g4s h GLU 42 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3g4s h GLU 42 CO -0.01 1.07 0.00 1.28 -0.73 0.00 0.00 179.01 180.62 3g4s n LEU 43 N -4.16 0.00 -0.07 1.64 4.77 -1.05 -1.71 117.00 116.42 3g4s n LEU 43 Ca -0.00 0.31 -0.20 0.00 -0.03 0.00 0.00 56.01 56.09 3g4s n LEU 43 Cb 0.44 -0.31 -0.12 0.00 -2.33 0.00 0.00 43.42 41.10 3g4s n LEU 43 CO 0.46 -0.11 -0.27 0.58 -1.33 0.00 0.00 177.39 176.73 3g4s h VAL 44 N 0.00 1.17 0.00 4.08 2.07 -1.16 -1.35 116.25 121.06 3g4s h VAL 44 Ca 0.00 -2.27 -0.01 0.00 0.82 0.00 0.00 66.70 65.24 3g4s h VAL 44 Cb 0.21 2.63 -0.00 0.00 -1.52 0.00 0.00 31.29 32.61 3g4s h VAL 44 CO 0.00 0.47 -0.04 0.44 0.02 0.00 0.00 177.57 178.46 3g4s h ASP 45 N -0.85 0.00 1.53 0.57 3.32 -1.29 0.43 116.42 120.13 3g4s h ASP 45 Ca -0.25 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.80 3g4s h ASP 45 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3g4s h ASP 45 CO -0.10 0.04 0.00 -0.33 -1.72 0.00 0.00 179.24 177.13 3g4s h GLU 46 N 0.00 0.00 0.00 3.56 5.08 -1.46 -3.47 114.58 118.29 3g4s h GLU 46 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g4s h GLU 46 Cb 0.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.53 3g4s h GLU 46 CO 0.01 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3g4s n GLY 47 N 1.22 0.95 0.25 -3.84 0.00 0.14 -4.94 105.19 98.96 3g4s n GLY 47 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 3g4s n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s h ALA 48 N 0.00 0.85 -3.41 4.61 0.00 -1.70 -3.39 119.26 116.22 3g4s h ALA 48 Ca 0.00 -0.41 -0.69 0.00 0.00 0.00 0.00 54.91 53.81 3g4s h ALA 48 Cb 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 17.79 17.34 3g4s h ALA 48 CO 0.00 0.64 -0.67 0.42 0.00 0.00 0.00 179.25 179.63 3g4s s ILE 49 N -4.41 3.19 0.42 0.00 1.01 -0.53 -2.13 121.20 118.75 3g4s s ILE 49 Ca -0.08 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.26 3g4s s ILE 49 Cb 0.13 -2.84 -0.06 0.00 0.01 0.00 0.00 42.46 39.69 3g4s s ILE 49 CO 0.83 -0.15 0.01 -1.10 0.00 0.00 0.00 174.94 174.53 3g4s s GLN 50 N 1.28 1.98 -0.06 2.79 -0.21 -0.99 -4.38 119.66 120.07 3g4s s GLN 50 Ca -0.04 -2.15 0.05 0.00 0.02 0.00 0.00 55.36 53.24 3g4s s GLN 50 Cb -0.20 -1.54 -0.00 0.00 1.00 0.00 0.00 33.01 32.26 3g4s s GLN 50 CO -0.00 -0.13 -0.22 0.00 -2.12 0.00 0.00 175.29 172.82 3g4s s ALA 51 N -2.79 1.92 0.61 6.09 0.00 -1.26 -1.01 121.76 125.31 3g4s s ALA 51 Ca 0.29 -0.88 -0.14 0.00 0.00 0.00 0.00 51.96 51.23 3g4s s ALA 51 Cb 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3g4s s ALA 51 CO 0.15 0.32 1.04 0.21 0.00 0.00 0.00 175.76 177.49 3g4s s LYS 52 N 0.08 3.36 0.29 0.00 2.20 -0.52 -4.98 119.74 120.16 3g4s s LYS 52 Ca -0.08 1.06 -0.17 0.00 -0.36 0.00 0.00 55.97 56.42 3g4s s LYS 52 Cb -0.14 -2.04 -0.09 0.00 -1.51 0.00 0.00 37.83 34.05 3g4s s LYS 52 CO 0.04 -0.77 0.74 -0.51 -0.36 0.00 0.00 175.35 174.50 3g4s s ASP 53 N -3.21 6.88 0.08 1.43 1.01 -1.26 -4.97 116.67 116.62 3g4s s ASP 53 Ca 0.61 1.34 -0.29 0.00 0.71 0.00 0.00 52.55 54.92 3g4s s ASP 53 Cb -0.14 -2.40 -0.05 0.00 1.01 0.00 0.00 42.92 41.34 3g4s s ASP 53 CO 0.42 -0.13 0.93 -1.59 0.21 0.00 0.00 175.17 175.01 3g4s s LYS 54 N -2.64 4.64 0.72 8.23 -2.85 -1.26 -5.05 119.74 121.52 3g4s s LYS 54 Ca 0.51 1.37 -0.11 0.00 -1.00 0.00 0.00 55.97 56.74 3g4s s LYS 54 Cb -0.12 -3.39 0.02 0.00 -2.06 0.00 0.00 37.83 32.28 3g4s s LYS 54 CO 0.18 0.18 1.07 0.21 0.10 0.00 0.00 175.35 177.09 3g4s s LYS 55 N 0.17 2.75 0.01 1.78 2.20 -1.26 -5.09 119.74 120.30 3g4s s LYS 55 Ca 0.46 0.80 0.01 0.00 -0.36 0.00 0.00 55.97 56.88 3g4s s LYS 55 Cb -0.22 -1.98 -0.01 0.00 -1.51 0.00 0.00 37.83 34.11 3g4s s LYS 55 CO 0.28 -1.19 -0.03 0.20 -0.36 0.00 0.00 175.35 174.26 3g4s s GLY 56 N -3.91 0.16 -0.33 5.54 0.00 -1.26 -5.10 107.32 102.42 3g4s s GLY 56 Ca 0.58 -0.24 -0.29 0.00 0.00 0.00 0.00 44.72 44.78 3g4s s GLY 56 CO 0.54 -0.24 1.69 -1.31 0.00 0.00 0.00 173.10 173.78 3g4s s ASN 57 N -0.43 6.07 -0.49 1.64 -0.87 -1.26 -4.90 114.94 114.70 3g4s s ASN 57 Ca -0.03 1.26 -0.26 0.00 -1.57 0.00 0.00 52.86 52.25 3g4s s ASN 57 Cb -0.03 -2.53 -0.06 0.00 -0.02 0.00 0.00 41.25 38.61 3g4s s ASN 57 CO -0.00 -1.57 2.29 -0.44 -2.57 0.00 0.00 177.10 174.80 3g4s s SER 58 N 5.31 4.68 0.00 -1.22 0.01 -1.26 -4.83 113.70 116.39 3g4s s SER 58 Ca 0.75 1.02 0.03 0.00 1.31 0.00 0.00 55.95 59.05 3g4s s SER 58 Cb -0.21 -2.51 0.15 0.00 0.21 0.00 0.00 66.02 63.66 3g4s s SER 58 CO 0.33 -2.71 0.73 0.54 0.41 0.00 0.00 173.24 172.54 3g4s n ARG 59 N 9.01 0.61 -0.13 12.44 1.74 -1.26 -4.20 116.66 134.87 3g4s n ARG 59 Ca 0.33 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.37 3g4s n ARG 59 Cb 0.54 -1.06 0.04 0.00 -1.02 0.00 0.00 32.46 30.95 3g4s n ARG 59 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 3g4s h GLY 60 N 3.59 0.42 2.00 -0.13 0.00 -2.00 -0.04 103.07 106.90 3g4s h GLY 60 Ca 0.00 0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.29 3g4s h GLY 60 CO 0.00 -0.11 -0.45 3.21 0.00 0.00 0.00 176.54 179.19 3g4s h ARG 61 N 0.10 0.00 -0.20 4.80 3.08 -2.00 -3.11 114.38 117.05 3g4s h ARG 61 Ca 0.21 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3g4s h ARG 61 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3g4s h ARG 61 CO -0.36 0.45 -0.29 0.00 -1.07 0.00 0.00 179.97 178.70 3g4s h ALA 62 N 1.55 0.30 -0.81 0.04 0.00 -1.63 -2.87 119.26 115.85 3g4s h ALA 62 Ca -0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3g4s h ALA 62 Cb 1.15 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3g4s h ALA 62 CO 0.06 0.31 0.35 0.00 0.00 0.00 0.00 179.25 179.97 3g4s h ARG 63 N 0.21 1.19 0.00 0.00 3.08 -1.05 -0.20 114.38 117.61 3g4s h ARG 63 Ca 0.02 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3g4s h ARG 63 Cb 0.87 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3g4s h ARG 63 CO 0.07 0.95 0.00 0.39 -1.07 0.00 0.00 179.97 180.31 3g4s n GLU 64 N -4.30 0.21 -0.02 0.04 1.02 -1.18 -2.04 120.64 114.37 3g4s n GLU 64 Ca 0.07 0.38 0.01 0.00 -0.02 0.00 0.00 57.16 57.61 3g4s n GLU 64 Cb 0.17 -1.86 -0.13 0.00 -0.02 0.00 0.00 31.44 29.59 3g4s n GLU 64 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3g4s n ARG 65 N -2.25 0.66 0.13 3.49 0.63 -0.76 -3.82 116.66 114.74 3g4s n ARG 65 Ca 0.03 -0.01 -0.02 0.00 -0.92 0.00 0.00 57.85 56.93 3g4s n ARG 65 Cb 0.27 -1.61 0.15 0.00 0.45 0.00 0.00 32.46 31.72 3g4s n ARG 65 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 3g4s h GLN 66 N 0.00 0.02 0.48 -0.14 4.20 -0.56 -2.59 115.11 116.52 3g4s h GLN 66 Ca -0.22 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.45 3g4s h GLN 66 Cb 1.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.34 3g4s h GLN 66 CO 0.02 0.66 -0.23 0.87 -0.67 0.00 0.00 178.83 179.48 3g4s h LYS 67 N 0.02 -0.62 -0.23 1.46 1.57 -1.54 -2.53 116.57 114.70 3g4s h LYS 67 Ca -0.01 0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 3g4s h LYS 67 Cb 1.14 0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3g4s h LYS 67 CO 0.09 -0.32 -0.07 0.87 -0.57 0.00 0.00 179.45 179.44 3g4s h LYS 68 N -0.87 0.35 0.00 3.15 1.57 -1.66 -2.32 116.57 116.80 3g4s h LYS 68 Ca -0.07 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3g4s h LYS 68 Cb 0.58 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.83 3g4s h LYS 68 CO 0.11 0.44 -0.24 0.00 -0.57 0.00 0.00 179.45 179.19 3g4s h ARG 69 N 0.34 0.00 0.00 3.15 3.08 -1.49 0.43 114.38 119.88 3g4s h ARG 69 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 3g4s h ARG 69 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.39 3g4s h ARG 69 CO 0.02 0.24 -0.19 0.00 -1.07 0.00 0.00 179.97 178.97 3g4s h ALA 70 N 1.76 0.90 0.00 0.04 0.00 -0.97 -3.05 119.26 117.94 3g4s h ALA 70 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g4s h ALA 70 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3g4s h ALA 70 CO 0.03 0.00 -0.56 0.98 0.00 0.00 0.00 179.25 179.70 3g4s n TYR 71 N -2.90 0.21 0.00 0.00 9.36 -0.98 -4.95 117.16 117.90 3g4s n TYR 71 Ca 0.03 0.06 0.00 0.00 3.32 0.00 0.00 57.90 61.32 3g4s n TYR 71 Cb 0.52 -0.42 0.00 0.00 -0.63 0.00 0.00 39.34 38.81 3g4s n TYR 71 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3g4s n GLY 72 N 1.43 0.71 3.95 2.98 0.00 -1.10 -5.10 105.19 108.06 3g4s n GLY 72 Ca 0.05 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.83 3g4s n GLY 72 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3g4s s HIS 73 N -2.00 3.20 0.00 1.61 3.76 0.12 -4.40 115.29 117.59 3g4s s HIS 73 Ca 0.00 0.30 0.00 0.00 -0.15 0.00 0.00 55.06 55.21 3g4s s HIS 73 Cb 0.00 -2.44 0.00 0.00 1.11 0.00 0.00 32.58 31.25 3g4s s HIS 73 CO 0.00 -0.50 0.00 1.04 -0.85 0.00 0.00 174.74 174.43 3g4s n GLN 74 N -2.21 0.00 -1.45 1.40 6.02 -1.26 -3.76 117.38 116.11 3g4s n GLN 74 Ca 0.03 0.00 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 3g4s n GLN 74 Cb 0.58 -3.41 -0.00 0.00 1.02 0.00 0.00 30.24 28.42 3g4s n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3g4s n LYS 75 N -2.00 2.40 -1.96 -1.09 5.02 -1.26 -4.74 118.16 114.53 3g4s n LYS 75 Ca 0.00 -2.56 -0.30 0.00 -2.02 0.00 0.00 58.31 53.42 3g4s n LYS 75 Cb 0.00 -2.09 0.03 0.00 -0.02 0.00 0.00 35.03 32.95 3g4s n LYS 75 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3g4s s GLY 76 N -0.24 1.63 0.00 0.72 0.00 -1.26 -4.92 107.32 103.25 3g4s s GLY 76 Ca 0.53 -0.27 0.00 0.00 0.00 0.00 0.00 44.72 44.98 3g4s s GLY 76 CO -0.20 0.04 0.17 0.00 0.00 0.00 0.00 173.10 173.11 3g4s n ALA 77 N -2.82 1.60 -0.33 3.20 0.00 -1.26 -0.44 120.51 120.47 3g4s n ALA 77 Ca 0.06 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.51 3g4s n ALA 77 Cb 0.56 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.03 3g4s n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g4s n GLY 78 N -0.15 2.54 0.00 0.00 0.00 -1.26 -4.57 105.19 101.74 3g4s n GLY 78 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3g4s n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3g4s n SER 79 N -0.57 0.74 -4.72 1.61 7.64 0.42 -5.03 113.62 113.71 3g4s n SER 79 Ca 0.02 -1.24 -0.36 0.00 1.01 0.00 0.00 58.87 58.30 3g4s n SER 79 Cb 0.35 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.48 3g4s n SER 79 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3g4s s ARG 80 N -0.24 4.24 -0.13 1.43 0.52 -1.22 -4.93 118.95 118.62 3g4s s ARG 80 Ca 0.00 0.05 -0.06 0.00 -0.52 0.00 0.00 55.73 55.20 3g4s s ARG 80 Cb 0.00 -3.43 -0.06 0.00 0.52 0.00 0.00 34.95 31.98 3g4s s ARG 80 CO 0.00 0.23 -0.17 1.17 0.02 0.00 0.00 175.30 176.55 3g4s n LYS 81 N 3.64 0.29 -2.13 3.54 3.00 -1.26 -5.03 118.16 120.21 3g4s n LYS 81 Ca -0.12 0.12 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 3g4s n LYS 81 Cb 0.52 -1.01 -0.01 0.00 0.00 0.00 0.00 35.03 34.53 3g4s n LYS 81 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 3g4s s GLY 82 N -5.24 1.89 1.15 3.14 0.00 -1.26 -5.05 107.32 101.94 3g4s s GLY 82 Ca -0.19 0.08 -0.14 0.00 0.00 0.00 0.00 44.72 44.48 3g4s s GLY 82 CO 0.24 0.36 1.04 1.25 0.00 0.00 0.00 173.10 176.00 3g4s s LYS 83 N -4.56 -0.78 0.12 2.90 2.20 -1.26 -4.74 119.74 113.62 3g4s s LYS 83 Ca 0.58 0.56 -0.20 0.00 -0.36 0.00 0.00 55.97 56.55 3g4s s LYS 83 Cb -0.11 -1.59 -0.04 0.00 -1.51 0.00 0.00 37.83 34.58 3g4s s LYS 83 CO 0.42 -3.56 1.74 0.00 -0.36 0.00 0.00 175.35 173.59 3g4s h ALA 84 N -2.49 0.20 0.00 3.13 0.00 -1.96 -2.32 119.26 115.81 3g4s h ALA 84 Ca -0.57 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3g4s h ALA 84 Cb 1.33 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3g4s h ALA 84 CO 0.50 -0.39 0.00 0.41 0.00 0.00 0.00 179.25 179.77 3g4s n GLY 85 N -1.17 -0.66 0.11 0.00 0.00 -1.26 -1.69 105.19 100.53 3g4s n GLY 85 Ca -0.03 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 3g4s n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g4s n ALA 86 N -1.08 1.46 0.07 4.61 0.00 -0.92 -4.17 120.51 120.49 3g4s n ALA 86 Ca 0.12 -1.19 -0.12 0.00 0.00 0.00 0.00 53.44 52.25 3g4s n ALA 86 Cb 0.09 -0.27 -0.04 0.00 0.00 0.00 0.00 19.45 19.23 3g4s n ALA 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3g4s h ARG 87 N 0.00 0.33 -3.07 0.00 3.08 -0.82 -3.44 114.38 110.47 3g4s h ARG 87 Ca -0.52 -0.37 -0.23 0.00 0.07 0.00 0.00 59.98 58.92 3g4s h ARG 87 Cb 2.14 0.11 -0.32 0.00 0.08 0.00 0.00 29.97 31.97 3g4s h ARG 87 CO 0.01 1.07 -0.56 -1.14 -1.07 0.00 0.00 179.97 178.28 3g4s s GLN 88 N -3.21 0.13 0.04 0.04 0.74 -0.92 -5.13 119.66 111.35 3g4s s GLN 88 Ca -0.05 0.53 -0.30 0.00 0.05 0.00 0.00 55.36 55.59 3g4s s GLN 88 Cb 0.09 -0.15 -0.04 0.00 1.10 0.00 0.00 33.01 34.00 3g4s s GLN 88 CO 0.86 -0.22 1.05 1.21 -0.55 0.00 0.00 175.29 177.64 3g4s s ASN 89 N 1.65 7.28 0.10 6.67 3.84 -1.26 -4.23 114.94 129.00 3g4s s ASN 89 Ca -0.05 1.80 -0.19 0.00 0.21 0.00 0.00 52.86 54.63 3g4s s ASN 89 Cb -0.11 -2.58 -0.07 0.00 -0.55 0.00 0.00 41.25 37.94 3g4s s ASN 89 CO -0.07 -0.31 1.66 0.77 -2.79 0.00 0.00 177.10 176.36 3g4s h SER 90 N 6.61 0.31 -0.44 -4.21 4.64 -1.95 -0.84 113.55 117.68 3g4s h SER 90 Ca -0.42 -0.14 -0.10 0.00 -0.47 0.00 0.00 61.79 60.66 3g4s h SER 90 Cb 1.22 -0.08 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 3g4s h SER 90 CO 0.77 0.37 -0.08 0.50 -0.87 0.00 0.00 176.83 177.52 3g4s h LYS 91 N 0.24 0.89 -0.10 4.77 3.11 -1.98 -2.31 116.57 121.18 3g4s h LYS 91 Ca 0.08 -0.30 -0.12 0.00 -2.81 0.00 0.00 60.65 57.50 3g4s h LYS 91 Cb 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 3g4s h LYS 91 CO -0.01 0.94 -0.47 0.93 -2.81 0.00 0.00 179.45 178.03 3g4s h GLU 92 N 0.81 0.25 -0.05 1.90 5.08 -1.95 -1.92 114.58 118.70 3g4s h GLU 92 Ca 0.14 -0.14 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 3g4s h GLU 92 Cb 0.59 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3g4s h GLU 92 CO 0.04 0.67 -0.58 0.22 -1.00 0.00 0.00 179.01 178.36 3g4s h ASP 93 N 0.21 0.18 -0.07 1.42 3.58 -0.91 -2.11 116.42 118.72 3g4s h ASP 93 Ca 0.01 -0.10 -0.05 0.00 0.42 0.00 0.00 57.03 57.31 3g4s h ASP 93 Cb 0.91 -0.05 0.00 0.00 1.72 0.00 0.00 39.33 41.90 3g4s h ASP 93 CO 0.07 0.72 -0.16 -0.25 -2.88 0.00 0.00 179.24 176.74 3g4s h TRP 94 N 0.12 0.31 -1.00 0.28 2.91 -1.23 -1.71 115.95 115.63 3g4s h TRP 94 Ca -0.00 -0.11 0.12 0.00 1.13 0.00 0.00 58.89 60.03 3g4s h TRP 94 Cb 1.05 -0.06 -0.08 0.00 -0.51 0.00 0.00 29.16 29.56 3g4s h TRP 94 CO 0.01 0.77 0.63 0.93 -1.03 0.00 0.00 178.44 179.75 3g4s h GLU 95 N -0.24 0.94 0.27 2.65 5.08 -1.27 0.24 114.58 122.24 3g4s h GLU 95 Ca 0.00 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3g4s h GLU 95 Cb 0.76 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3g4s h GLU 95 CO 0.04 0.62 -0.13 1.03 -1.00 0.00 0.00 179.01 179.57 3g4s h SER 96 N 0.97 -0.31 -0.24 1.42 0.87 -1.34 -2.84 113.55 112.08 3g4s h SER 96 Ca 0.50 -0.20 -0.02 0.00 -1.23 0.00 0.00 61.79 60.83 3g4s h SER 96 Cb 0.51 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 3g4s h SER 96 CO -0.26 0.07 0.07 0.03 -0.53 0.00 0.00 176.83 176.21 3g4s h ARG 97 N -0.73 0.38 -0.11 2.24 3.08 -0.91 -2.69 114.38 115.64 3g4s h ARG 97 Ca -0.04 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 3g4s h ARG 97 Cb 0.49 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 3g4s h ARG 97 CO 0.06 0.47 -0.59 0.97 -1.07 0.00 0.00 179.97 179.81 3g4s h ILE 98 N 0.22 1.36 -0.13 2.04 -0.00 -0.66 -2.57 117.51 117.78 3g4s h ILE 98 Ca 0.08 -1.92 -0.15 0.00 -0.00 0.00 0.00 64.86 62.87 3g4s h ILE 98 Cb 0.25 1.93 -0.01 0.00 -0.00 0.00 0.00 36.82 38.99 3g4s h ILE 98 CO -0.00 0.58 -0.55 0.03 -0.00 0.00 0.00 178.15 178.20 3g4s h ARG 99 N 0.26 0.39 -0.10 2.19 3.08 -1.55 -1.22 114.38 117.43 3g4s h ARG 99 Ca -0.00 -0.25 -0.03 0.00 0.07 0.00 0.00 59.98 59.77 3g4s h ARG 99 Cb 1.11 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.18 3g4s h ARG 99 CO 0.10 0.84 -0.07 0.00 -1.07 0.00 0.00 179.97 179.77 3g4s h ALA 100 N 1.11 1.71 0.00 0.04 0.00 -1.28 0.32 119.26 121.16 3g4s h ALA 100 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3g4s h ALA 100 Cb 1.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3g4s h ALA 100 CO 0.09 0.22 -0.78 1.96 0.00 0.00 0.00 179.25 180.74 3g4s h GLN 101 N 0.14 0.00 -0.01 0.00 4.20 -1.13 -2.94 115.11 115.38 3g4s h GLN 101 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 3g4s h GLN 101 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 3g4s h GLN 101 CO 0.01 0.00 -0.51 0.54 -0.67 0.00 0.00 178.83 178.20 3g4s n ARG 102 N -2.69 0.54 -0.01 1.46 1.74 -0.20 -2.62 116.66 114.89 3g4s n ARG 102 Ca 0.01 -0.38 0.06 0.00 -0.77 0.00 0.00 57.85 56.77 3g4s n ARG 102 Cb 0.53 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 3g4s n ARG 102 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3g4s n THR 103 N -0.90 0.52 -0.04 0.55 -1.04 0.96 -4.03 114.28 110.29 3g4s n THR 103 Ca 0.08 -0.60 -0.02 0.00 -2.04 0.00 0.00 64.05 61.47 3g4s n THR 103 Cb 0.37 -0.24 -0.02 0.00 -1.82 0.00 0.00 70.33 68.62 3g4s n THR 103 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 3g4s h LYS 104 N 0.00 -0.02 0.00 -2.82 1.63 -1.53 -3.20 116.57 110.63 3g4s h LYS 104 Ca -0.13 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.67 3g4s h LYS 104 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.96 3g4s h LYS 104 CO 0.01 0.14 0.03 -0.07 -3.45 0.00 0.00 179.45 176.11 3g4s h LEU 105 N -1.00 0.00 0.02 5.20 3.38 -1.73 -0.69 115.31 120.50 3g4s h LEU 105 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 3g4s h LEU 105 Cb 0.16 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.92 3g4s h LEU 105 CO 0.00 0.00 -0.54 -0.09 0.09 0.00 0.00 178.44 177.91 3g4s h ARG 106 N 0.00 0.32 0.00 1.13 2.43 -1.70 -2.51 114.38 114.05 3g4s h ARG 106 Ca 0.00 -0.38 0.00 0.00 -0.81 0.00 0.00 59.98 58.79 3g4s h ARG 106 Cb 0.06 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 3g4s h ARG 106 CO 0.00 1.08 0.00 0.39 -1.51 0.00 0.00 179.97 179.93 3g4s n GLU 107 N -4.28 0.20 -0.01 0.20 1.02 -0.32 -2.02 120.64 115.43 3g4s n GLU 107 Ca -0.11 0.47 -0.01 0.00 -0.02 0.00 0.00 57.16 57.50 3g4s n GLU 107 Cb 0.65 -1.91 -0.12 0.00 -0.02 0.00 0.00 31.44 30.04 3g4s n GLU 107 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3g4s n LEU 108 N -2.29 0.50 0.11 -4.62 4.77 -0.87 -3.99 117.00 110.60 3g4s n LEU 108 Ca 0.01 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.02 3g4s n LEU 108 Cb 0.20 0.17 -0.15 0.00 -2.33 0.00 0.00 43.42 41.31 3g4s n LEU 108 CO 0.18 0.21 -0.22 -0.09 -1.33 0.00 0.00 177.39 176.14 3g4s h ARG 109 N 0.00 0.36 -1.00 3.23 2.43 -1.02 -2.02 114.38 116.36 3g4s h ARG 109 Ca -0.23 -0.62 -0.24 0.00 -0.81 0.00 0.00 59.98 58.08 3g4s h ARG 109 Cb 1.65 0.23 -0.14 0.00 -0.42 0.00 0.00 29.97 31.28 3g4s h ARG 109 CO 0.03 1.28 0.30 -0.25 -1.51 0.00 0.00 179.97 179.82 3g4s n ASP 110 N -3.58 3.35 0.00 -3.80 8.00 -0.85 -2.97 116.55 116.70 3g4s n ASP 110 Ca -0.14 -2.74 0.00 0.00 0.71 0.00 0.00 54.79 52.62 3g4s n ASP 110 Cb 1.06 -0.66 0.00 0.00 -0.02 0.00 0.00 41.12 41.50 3g4s n ASP 110 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3g4s n GLU 111 N -0.26 4.64 -0.05 -1.24 2.13 -1.25 -5.01 120.64 119.61 3g4s n GLU 111 Ca 0.28 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.10 3g4s n GLU 111 Cb 1.04 -0.53 0.00 0.00 0.27 0.00 0.00 31.44 32.23 3g4s n GLU 111 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3g4s n GLY 112 N 0.37 0.48 0.14 8.31 0.00 -1.16 -4.96 105.19 108.37 3g4s n GLY 112 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3g4s n GLY 112 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g4s h THR 113 N 0.00 1.13 -3.53 2.61 2.02 -1.76 -3.43 112.91 109.96 3g4s h THR 113 Ca 0.00 -0.37 -0.67 0.00 0.77 0.00 0.00 66.41 66.14 3g4s h THR 113 Cb 0.00 0.88 -0.16 0.00 -1.74 0.00 0.00 68.15 67.12 3g4s h THR 113 CO 0.00 0.14 -0.68 -0.76 0.37 0.00 0.00 175.52 174.59 3g4s s LEU 114 N -9.96 3.30 0.44 2.58 1.43 -0.79 -5.04 118.68 110.64 3g4s s LEU 114 Ca -0.13 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 52.92 3g4s s LEU 114 Cb 0.09 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.46 3g4s s LEU 114 CO 0.72 0.30 0.65 -0.94 0.23 0.00 0.00 176.35 177.31 3g4s s SER 115 N -1.32 5.79 0.58 2.29 1.04 -1.26 -4.47 113.70 116.34 3g4s s SER 115 Ca 0.17 0.16 0.28 0.00 0.48 0.00 0.00 55.95 57.04 3g4s s SER 115 Cb -0.11 -1.39 1.52 0.00 0.10 0.00 0.00 66.02 66.14 3g4s s SER 115 CO 0.07 -0.71 1.98 0.77 0.98 0.00 0.00 173.24 176.33 3g4s h SER 116 N 0.45 0.00 0.44 7.02 4.64 -1.99 0.26 113.55 124.37 3g4s h SER 116 Ca -0.45 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.56 3g4s h SER 116 Cb 1.26 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.31 3g4s h SER 116 CO 0.56 0.00 -1.74 0.77 -0.87 0.00 0.00 176.83 175.55 3g4s h SER 117 N 0.00 0.08 0.91 4.97 4.64 -1.99 -3.21 113.55 118.95 3g4s h SER 117 Ca 0.18 -0.18 -0.18 0.00 -0.47 0.00 0.00 61.79 61.15 3g4s h SER 117 Cb 0.92 -0.03 -0.03 0.00 -0.31 0.00 0.00 62.40 62.96 3g4s h SER 117 CO -0.00 1.16 -0.87 1.56 -0.87 0.00 0.00 176.83 177.81 3g4s h GLN 118 N 0.01 0.00 -0.19 4.77 4.20 -1.49 -2.87 115.11 119.55 3g4s h GLN 118 Ca -0.30 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 58.21 3g4s h GLN 118 Cb 2.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.79 3g4s h GLN 118 CO 0.08 0.87 -0.66 -0.92 -0.67 0.00 0.00 178.83 177.53 3g4s h TYR 119 N 0.00 0.93 -0.52 2.96 3.20 -0.70 -3.05 116.97 119.78 3g4s h TYR 119 Ca -0.01 -0.37 -0.10 0.00 3.14 0.00 0.00 58.73 61.39 3g4s h TYR 119 Cb 1.56 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 3g4s h TYR 119 CO 0.00 1.18 -0.05 -0.09 -1.64 0.00 0.00 178.16 177.55 3g4s h ARG 120 N 0.52 0.96 -0.26 1.82 9.65 -1.57 -0.76 114.38 124.73 3g4s h ARG 120 Ca -0.02 -0.33 0.03 0.00 -1.10 0.00 0.00 59.98 58.56 3g4s h ARG 120 Cb 1.26 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 3g4s h ARG 120 CO 0.13 1.00 0.09 0.22 2.80 0.00 0.00 179.97 184.21 3g4s h ASP 121 N 0.83 0.09 0.24 -3.80 -0.00 -1.52 -2.62 116.42 109.65 3g4s h ASP 121 Ca 0.14 0.03 -0.24 0.00 -0.00 0.00 0.00 57.03 56.96 3g4s h ASP 121 Cb 0.60 0.02 0.01 0.00 -0.00 0.00 0.00 39.33 39.96 3g4s h ASP 121 CO 0.04 0.09 -0.99 -0.07 -0.00 0.00 0.00 179.24 178.31 3g4s h LEU 122 N 0.21 0.65 -0.65 2.28 3.38 -1.45 -2.96 115.31 116.76 3g4s h LEU 122 Ca 0.12 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.51 3g4s h LEU 122 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3g4s h LEU 122 CO -0.12 1.33 0.23 0.22 0.09 0.00 0.00 178.44 180.18 3g4s h TYR 123 N 0.28 1.03 -0.02 1.13 3.20 -1.08 0.36 116.97 121.87 3g4s h TYR 123 Ca -0.10 -0.09 -0.14 0.00 3.14 0.00 0.00 58.73 61.54 3g4s h TYR 123 Cb 1.63 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.58 3g4s h TYR 123 CO 0.07 0.83 -0.63 -0.44 -1.64 0.00 0.00 178.16 176.35 3g4s h ASP 124 N 0.94 0.08 1.00 -2.11 3.32 -1.55 -0.82 116.42 117.27 3g4s h ASP 124 Ca 0.21 -0.05 -0.18 0.00 0.02 0.00 0.00 57.03 57.03 3g4s h ASP 124 Cb 0.26 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3g4s h ASP 124 CO -0.01 0.69 -0.87 0.11 -1.72 0.00 0.00 179.24 177.44 3g4s h LYS 125 N 0.05 0.00 -0.10 3.56 1.57 -1.29 -0.92 116.57 119.44 3g4s h LYS 125 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 3g4s h LYS 125 Cb 1.12 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.44 3g4s h LYS 125 CO 0.09 0.87 -0.82 0.00 -0.57 0.00 0.00 179.45 179.01 3g4s h ALA 126 N 1.13 0.35 0.00 3.86 0.00 -0.15 -0.64 119.26 123.81 3g4s h ALA 126 Ca -0.01 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3g4s h ALA 126 Cb 1.60 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.38 3g4s h ALA 126 CO 0.11 0.71 0.00 0.78 0.00 0.00 0.00 179.25 180.85 3g4s h GLY 127 N 0.74 0.00 0.32 0.00 0.00 -1.08 -1.50 103.07 101.55 3g4s h GLY 127 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.27 3g4s h GLY 127 CO 0.16 0.00 -0.43 0.61 0.00 0.00 0.00 176.54 176.88 3g4s n GLY 128 N 0.49 -0.78 2.57 4.60 0.00 -0.36 -4.98 105.19 106.74 3g4s n GLY 128 Ca 0.03 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 3g4s n GLY 128 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g4s n GLY 129 N 1.41 0.18 0.19 -0.02 0.00 -0.56 -4.95 105.19 101.43 3g4s n GLY 129 Ca 0.09 -0.20 0.12 0.00 0.00 0.00 0.00 46.02 46.03 3g4s n GLY 129 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g4s h GLU 130 N -1.37 0.00 -5.57 1.61 4.39 -1.37 -3.44 114.58 108.83 3g4s h GLU 130 Ca -0.29 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 58.75 3g4s h GLU 130 Cb 1.19 0.00 -0.23 0.00 -0.10 0.00 0.00 28.75 29.61 3g4s h GLU 130 CO 0.29 0.00 -0.71 -0.06 -1.16 0.00 0.00 179.01 177.37 3g4s s PHE 131 N -3.21 2.91 0.00 4.33 2.99 -1.26 -5.04 117.98 118.70 3g4s s PHE 131 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 56.93 56.67 3g4s s PHE 131 Cb 0.07 -1.84 0.00 0.00 0.00 0.00 0.00 43.02 41.25 3g4s s PHE 131 CO 0.67 0.01 0.48 -0.25 -0.00 0.00 0.00 175.22 176.13 3g4s n ASP 132 N 3.14 0.00 -1.81 1.36 8.00 -1.26 -4.97 116.55 121.00 3g4s n ASP 132 Ca -0.18 0.69 0.00 0.00 0.71 0.00 0.00 54.79 56.01 3g4s n ASP 132 Cb 0.53 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3g4s n ASP 132 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3g4s n SER 133 N -1.80 1.62 0.16 -2.24 3.41 -1.26 -4.97 113.62 108.54 3g4s n SER 133 Ca 0.00 -0.91 0.01 0.00 -0.26 0.00 0.00 58.87 57.72 3g4s n SER 133 Cb 0.00 0.00 0.25 0.00 -0.26 0.00 0.00 64.21 64.20 3g4s n SER 133 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 3g4s h VAL 134 N 0.73 1.25 -0.16 -3.33 2.07 -1.93 -2.91 116.25 111.98 3g4s h VAL 134 Ca 0.00 -1.83 -0.10 0.00 0.82 0.00 0.00 66.70 65.59 3g4s h VAL 134 Cb 0.00 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3g4s h VAL 134 CO 0.00 0.50 -0.33 0.00 0.02 0.00 0.00 177.57 177.76 3g4s h ALA 135 N 1.49 1.15 0.00 1.67 0.00 -1.99 -2.14 119.26 119.43 3g4s h ALA 135 Ca -0.01 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 3g4s h ALA 135 Cb 0.98 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 3g4s h ALA 135 CO 0.07 0.55 -0.42 0.22 0.00 0.00 0.00 179.25 179.66 3g4s h ASP 136 N 0.27 0.00 -0.28 0.00 3.58 -1.91 -2.47 116.42 115.61 3g4s h ASP 136 Ca 0.03 0.00 -0.13 0.00 0.42 0.00 0.00 57.03 57.35 3g4s h ASP 136 Cb 0.72 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 3g4s h ASP 136 CO 0.05 0.36 -0.34 0.25 -2.88 0.00 0.00 179.24 176.69 3g4s h LEU 137 N 0.00 0.78 -0.76 2.28 5.85 -1.26 -3.04 115.31 119.16 3g4s h LEU 137 Ca -0.01 -0.49 -0.12 0.00 0.84 0.00 0.00 57.88 58.09 3g4s h LEU 137 Cb 1.28 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 3g4s h LEU 137 CO 0.05 1.12 -0.41 -0.33 -0.34 0.00 0.00 178.44 178.53 3g4s h GLU 138 N 0.47 0.45 0.00 1.25 5.08 -1.39 -1.37 114.58 119.07 3g4s h GLU 138 Ca 0.04 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3g4s h GLU 138 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 3g4s h GLU 138 CO 0.08 0.78 0.00 0.54 -1.00 0.00 0.00 179.01 179.42 3g4s n ARG 139 N -4.03 0.80 0.00 2.33 1.74 -0.94 -2.11 116.66 114.46 3g4s n ARG 139 Ca -0.02 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3g4s n ARG 139 Cb 0.50 -1.01 0.00 0.00 -1.02 0.00 0.00 32.46 30.94 3g4s n ARG 139 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 3g4s n TYR 140 N -0.51 0.00 -0.11 -1.55 9.36 -0.82 -4.72 117.16 118.81 3g4s n TYR 140 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 3g4s n TYR 140 Cb 0.00 0.00 -0.03 0.00 -0.63 0.00 0.00 39.34 38.68 3g4s n TYR 140 CO 0.00 0.00 0.00 0.82 0.22 0.00 0.00 176.86 177.90 3g4s h ILE 141 N 0.00 1.27 -0.85 2.97 2.04 -0.97 -3.32 117.51 118.64 3g4s h ILE 141 Ca 0.00 -1.07 -0.68 0.00 1.00 0.00 0.00 64.86 64.11 3g4s h ILE 141 Cb 0.87 1.32 -0.08 0.00 -0.74 0.00 0.00 36.82 38.19 3g4s h ILE 141 CO 0.00 0.35 2.24 0.47 0.00 0.00 0.00 178.15 181.21 3g4s n ASP 142 N -4.48 4.88 0.00 1.72 8.00 -0.90 -5.11 116.55 120.67 3g4s n ASP 142 Ca -0.02 -2.92 0.00 0.00 0.71 0.00 0.00 54.79 52.56 3g4s n ASP 142 Cb 0.31 -1.74 0.00 0.00 -0.02 0.00 0.00 41.12 39.67 3g4s n ASP 142 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81